4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide

C14H24N4OS — CID 116666781

IUPAC4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCCC2CCCC(C)C2)s1
InChIInChI=1S/C14H24N4OS/c1-9-4-3-5-10(8-9)6-7-17-13(19)11-12(15)18-14(16-2)20-11/h9-10H,3-8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHEZQCWNRRSBKJO-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.71
Rot. Bonds5

About 4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide

4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116666781) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID116666781
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NCCC2CCCC(C)C2)s1
InChIInChI=1S/C14H24N4OS/c1-9-4-3-5-10(8-9)6-7-17-13(19)11-12(15)18-14(16-2)20-11/h9-10H,3-8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHEZQCWNRRSBKJO-UHFFFAOYSA-N
XLogP2.71
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116667308
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439
4-amino-N-(5-amino-5-oxopentyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106242070
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106343628
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116666452
4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663067
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106368446
4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107290
3-amino-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105070285
4-amino-2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116671150

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide (CID 116666781) is 4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NCCC2CCCC(C)C2)s1.
What is the InChIKey of 4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HEZQCWNRRSBKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9-4-3-5-10(8-9)6-7-17-13(19)11-12(15)18-14(16-2)20-11/h9-10H,3-8,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).